CID 84663652

1-[3-chloro-2-(difluoromethyl)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula
C8H8ClF2N
SMILES
C1=CC(=C(C(=C1)Cl)C(F)F)CN
InChI
InChI=1S/C8H8ClF2N/c9-6-3-1-2-5(4-12)7(6)8(10)11/h1-3,8H,4,12H2
InChIKey
KYULKXBITZCGGF-UHFFFAOYSA-N
Compound name
[3-chloro-2-(difluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.03133 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.03861 134.4
[M+Na]+ 214.02055 143.9
[M-H]- 190.02405 135.3
[M+NH4]+ 209.06515 154.7
[M+K]+ 229.99449 139.4
[M+H-H2O]+ 174.02859 128.2
[M+HCOO]- 236.02953 152.1
[M+CH3COO]- 250.04518 184.9
[M+Na-2H]- 212.00600 138.1
[M]+ 191.03078 132.1
[M]- 191.03188 132.1
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.