CID 2783306

2-methyl-4-(trifluoromethoxy)phenylacetonitrile

Structural Information

Molecular Formula
C10H8F3NO
SMILES
CC1=C(C=CC(=C1)OC(F)(F)F)CC#N
InChI
InChI=1S/C10H8F3NO/c1-7-6-9(15-10(11,12)13)3-2-8(7)4-5-14/h2-3,6H,4H2,1H3
InChIKey
YQTMGMGJQACTFN-UHFFFAOYSA-N
Compound name
2-[2-methyl-4-(trifluoromethoxy)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0558 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06308 149.8
[M+Na]+ 238.04502 160.0
[M+NH4]+ 233.08962 152.5
[M+K]+ 254.01896 150.7
[M-H]- 214.04852 140.1
[M+Na-2H]- 236.03047 151.7
[M]+ 215.05525 147.6
[M]- 215.05635 147.6
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

No patent data available for this compound.