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 139.5
[M+Na]+ 238.04502 150.5
[M-H]- 214.04852 139.6
[M+NH4]+ 233.08962 156.6
[M+K]+ 254.01896 147.4
[M+H-H2O]+ 198.05306 125.4
[M+HCOO]- 260.05400 156.2
[M+CH3COO]- 274.06965 199.4
[M+Na-2H]- 236.03047 144.4
[M]+ 215.05525 132.8
[M]- 215.05635 132.8
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.