CID 20405523

[1-(trifluoromethyl)cyclopropyl]benzene

Structural Information

Molecular Formula
C10H9F3
SMILES
C1CC1(C2=CC=CC=C2)C(F)(F)F
InChI
InChI=1S/C10H9F3/c11-10(12,13)9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
RBZAHILDWCBKFX-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)cyclopropyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

186.06563 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07291 130.6
[M+Na]+ 209.05485 140.6
[M-H]- 185.05835 134.7
[M+NH4]+ 204.09945 147.3
[M+K]+ 225.02879 138.2
[M+H-H2O]+ 169.06289 122.7
[M+HCOO]- 231.06383 150.5
[M+CH3COO]- 245.07948 183.9
[M+Na-2H]- 207.04030 138.9
[M]+ 186.06508 128.4
[M]- 186.06618 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe