CID 2737016

41429-22-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

183.04958 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe