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]+ 185.05210 133.7
[M+Na]+ 207.03404 143.9
[M-H]- 183.03754 134.4
[M+NH4]+ 202.07864 151.1
[M+K]+ 223.00798 141.4
[M+H-H2O]+ 167.04208 119.9
[M+HCOO]- 229.04302 152.6
[M+CH3COO]- 243.05867 196.3
[M+Na-2H]- 205.01949 137.5
[M]+ 184.04427 125.8
[M]- 184.04537 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.