CID 4962241

2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile

Structural Information

Molecular Formula
C10H9F2NO2
SMILES
COC1=C(C=CC(=C1)CC#N)OC(F)F
InChI
InChI=1S/C10H9F2NO2/c1-14-9-6-7(4-5-13)2-3-8(9)15-10(11)12/h2-3,6,10H,4H2,1H3
InChIKey
KGGCQRVATOPOOI-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

213.06013 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06741 138.1
[M+Na]+ 236.04935 148.5
[M-H]- 212.05285 139.2
[M+NH4]+ 231.09395 155.1
[M+K]+ 252.02329 146.1
[M+H-H2O]+ 196.05739 124.3
[M+HCOO]- 258.05833 156.5
[M+CH3COO]- 272.07398 199.7
[M+Na-2H]- 234.03480 142.1
[M]+ 213.05958 133.9
[M]- 213.06068 133.9
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