CID 17750823

(3-chloro-2,4-difluorophenyl)methanamine

Structural Information

Molecular Formula
C7H6ClF2N
SMILES
C1=CC(=C(C(=C1CN)F)Cl)F
InChI
InChI=1S/C7H6ClF2N/c8-6-5(9)2-1-4(3-11)7(6)10/h1-2H,3,11H2
InChIKey
PIIMDRFSWYVCLQ-UHFFFAOYSA-N
Compound name
(3-chloro-2,4-difluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

202
Patents

177.01569 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.02297 129.2
[M+Na]+ 200.00491 140.3
[M-H]- 176.00841 130.5
[M+NH4]+ 195.04951 150.5
[M+K]+ 215.97885 135.6
[M+H-H2O]+ 160.01295 123.4
[M+HCOO]- 222.01389 148.2
[M+CH3COO]- 236.02954 182.1
[M+Na-2H]- 197.99036 134.0
[M]+ 177.01514 127.5
[M]- 177.01624 127.5
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

patents stripe