CID 61269388

5-amino-2-(difluoromethoxy)benzonitrile hydrochloride

Structural Information

Molecular Formula
C8H6F2N2O
SMILES
C1=CC(=C(C=C1N)C#N)OC(F)F
InChI
InChI=1S/C8H6F2N2O/c9-8(10)13-7-2-1-6(12)3-5(7)4-11/h1-3,8H,12H2
InChIKey
OYMSMYHISWFOSU-UHFFFAOYSA-N
Compound name
5-amino-2-(difluoromethoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.04482 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.052096 133.7
[M+Na]+ 207.034038 143.9
[M-H]- 183.037544 134.4
[M+NH4]+ 202.078643 151.1
[M+K]+ 223.007978 141.4
[M+H-H2O]+ 167.042080 119.9
[M+HCOO]- 229.043021 152.6
[M+CH3COO]- 243.058671 196.3
[M+Na-2H]- 205.019486 137.5
[M]+ 184.04427142 125.8
[M]- 184.04536858 125.8
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.