CID 2737018

2-[4-(difluoromethoxy)phenyl]acetonitrile

Structural Information

Molecular Formula
C9H7F2NO
SMILES
C1=CC(=CC=C1CC#N)OC(F)F
InChI
InChI=1S/C9H7F2NO/c10-9(11)13-8-3-1-7(2-4-8)5-6-12/h1-4,9H,5H2
InChIKey
LSFWUQCOTXRZHH-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethoxy)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

53
Patents

183.04958 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.056856 132.3
[M+Na]+ 206.038798 142.3
[M-H]- 182.042304 133.1
[M+NH4]+ 201.083403 150.1
[M+K]+ 222.012738 139.5
[M+H-H2O]+ 166.046840 118.5
[M+HCOO]- 228.047781 150.7
[M+CH3COO]- 242.063431 194.2
[M+Na-2H]- 204.024246 137.3
[M]+ 183.04903142 126.1
[M]- 183.05012858 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe