CID 11052164

1121-41-1

Structural Information

Molecular Formula
C7H11Br
SMILES
C1CC[C@H]2[C@@H](C1)C2Br
InChI
InChI=1S/C7H11Br/c8-7-5-3-1-2-4-6(5)7/h5-7H,1-4H2/t5-,6+,7?
InChIKey
LOOMTCQZRVQSSA-MEKDEQNOSA-N
Compound name
(1R,6S)-7-bromobicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00441 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.011686 133.0
[M+Na]+ 196.993628 145.5
[M-H]- 172.997134 140.8
[M+NH4]+ 192.038233 153.3
[M+K]+ 212.967568 135.0
[M+H-H2O]+ 157.001670 133.4
[M+HCOO]- 219.002611 151.7
[M+CH3COO]- 233.018261 182.0
[M+Na-2H]- 194.979076 141.3
[M]+ 174.00386142 149.9
[M]- 174.00495858 149.9
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.