CID 43197852

(2-chlorophenyl)(2,5-difluorophenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C13H10ClF2N
SMILES
C1=CC=C(C(=C1)C(C2=C(C=CC(=C2)F)F)N)Cl
InChI
InChI=1S/C13H10ClF2N/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16/h1-7,13H,17H2
InChIKey
UDNDGNWVVJDOQI-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-(2,5-difluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.04698 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05426 151.4
[M+Na]+ 276.03620 161.2
[M-H]- 252.03970 155.4
[M+NH4]+ 271.08080 169.1
[M+K]+ 292.01014 154.7
[M+H-H2O]+ 236.04424 143.5
[M+HCOO]- 298.04518 168.9
[M+CH3COO]- 312.06083 196.6
[M+Na-2H]- 274.02165 154.3
[M]+ 253.04643 149.2
[M]- 253.04753 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.