CID 119011006

2-(aminomethyl)-3,5-difluorobenzonitrile hydrochloride

Structural Information

Molecular Formula
C8H6F2N2
SMILES
C1=C(C=C(C(=C1C#N)CN)F)F
InChI
InChI=1S/C8H6F2N2/c9-6-1-5(3-11)7(4-12)8(10)2-6/h1-2H,4,12H2
InChIKey
JQUHSIGMOQAHBW-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3,5-difluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.04991 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.057186 129.7
[M+Na]+ 191.039128 141.1
[M-H]- 167.042634 130.8
[M+NH4]+ 186.083733 148.1
[M+K]+ 207.013068 137.7
[M+H-H2O]+ 151.047170 116.4
[M+HCOO]- 213.048111 149.3
[M+CH3COO]- 227.063761 194.7
[M+Na-2H]- 189.024576 134.2
[M]+ 168.04936142 121.5
[M]- 168.05045858 121.5
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

No patent data available for this compound.