CID 86775520

1-methyl-3-[1-(trifluoromethyl)cyclopropyl]benzene

Structural Information

Molecular Formula
C11H11F3
SMILES
CC1=CC(=CC=C1)C2(CC2)C(F)(F)F
InChI
InChI=1S/C11H11F3/c1-8-3-2-4-9(7-8)10(5-6-10)11(12,13)14/h2-4,7H,5-6H2,1H3
InChIKey
XOBOETAELDPCPZ-UHFFFAOYSA-N
Compound name
1-methyl-3-[1-(trifluoromethyl)cyclopropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

200.08128 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.088556 134.1
[M+Na]+ 223.070498 144.6
[M-H]- 199.074004 138.4
[M+NH4]+ 218.115103 150.6
[M+K]+ 239.044438 141.8
[M+H-H2O]+ 183.078540 126.2
[M+HCOO]- 245.079481 153.7
[M+CH3COO]- 259.095131 187.8
[M+Na-2H]- 221.055946 141.3
[M]+ 200.08073142 132.6
[M]- 200.08182858 132.6
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

patents stripe