CID 137935221

952403-55-3

Structural Information

Molecular Formula
C9H11F3O2
SMILES
C1CC2(CCC1(C2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C9H11F3O2/c10-9(11,12)8-3-1-7(5-8,2-4-8)6(13)14/h1-5H2,(H,13,14)
InChIKey
WJDGZRZVDQRWCU-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)bicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

208.07112 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07840 144.1
[M+Na]+ 231.06034 152.2
[M-H]- 207.06384 141.9
[M+NH4]+ 226.10494 170.9
[M+K]+ 247.03428 149.4
[M+H-H2O]+ 191.06838 139.6
[M+HCOO]- 253.06932 158.7
[M+CH3COO]- 267.08497 180.1
[M+Na-2H]- 229.04579 148.6
[M]+ 208.07057 138.2
[M]- 208.07167 138.2
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