CID 2774113

2-(difluoromethoxy)benzonitrile

Structural Information

Molecular Formula
C8H5F2NO
SMILES
C1=CC=C(C(=C1)C#N)OC(F)F
InChI
InChI=1S/C8H5F2NO/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-4,8H
InChIKey
PLTPHQGNJHSBBR-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

169.03392 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04120 128.2
[M+Na]+ 192.02314 138.6
[M-H]- 168.02664 129.2
[M+NH4]+ 187.06774 146.5
[M+K]+ 207.99708 136.0
[M+H-H2O]+ 152.03118 114.6
[M+HCOO]- 214.03212 146.9
[M+CH3COO]- 228.04777 191.5
[M+Na-2H]- 190.00859 133.7
[M]+ 169.03337 121.7
[M]- 169.03447 121.7
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