CID 134691158

3-bromo-1h,1ah,6h,6ah-cyclopropa[a]indene-1-carboxylic acid

Structural Information

Molecular Formula
C11H9BrO2
SMILES
C1C2C(C2C(=O)O)C3=C1C=CC(=C3)Br
InChI
InChI=1S/C11H9BrO2/c12-6-2-1-5-3-8-9(7(5)4-6)10(8)11(13)14/h1-2,4,8-10H,3H2,(H,13,14)
InChIKey
MHMSPPNJUVPCGT-UHFFFAOYSA-N
Compound name
3-bromo-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

251.97859 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98587 150.0
[M+Na]+ 274.96781 164.8
[M-H]- 250.97131 157.9
[M+NH4]+ 270.01241 169.6
[M+K]+ 290.94175 152.1
[M+H-H2O]+ 234.97585 151.1
[M+HCOO]- 296.97679 168.4
[M+CH3COO]- 310.99244 164.9
[M+Na-2H]- 272.95326 155.6
[M]+ 251.97804 170.7
[M]- 251.97914 170.7
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