CID 2737017

41429-18-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

183.04958 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05686 132.3
[M+Na]+ 206.03880 142.3
[M-H]- 182.04230 133.1
[M+NH4]+ 201.08340 150.1
[M+K]+ 222.01274 139.5
[M+H-H2O]+ 166.04684 118.5
[M+HCOO]- 228.04778 150.7
[M+CH3COO]- 242.06343 194.2
[M+Na-2H]- 204.02425 137.3
[M]+ 183.04903 126.1
[M]- 183.05013 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