CID 57372338

1-bromo-2-(1-methylcyclopropyl)benzene

Structural Information

Molecular Formula
C10H11Br
SMILES
CC1(CC1)C2=CC=CC=C2Br
InChI
InChI=1S/C10H11Br/c1-10(6-7-10)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
InChIKey
TZZUFAJKCFSOMD-UHFFFAOYSA-N
Compound name
1-bromo-2-(1-methylcyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

210.00441 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.011686 137.0
[M+Na]+ 232.993628 150.7
[M-H]- 208.997134 147.6
[M+NH4]+ 228.038233 157.0
[M+K]+ 248.967568 140.5
[M+H-H2O]+ 193.001670 137.8
[M+HCOO]- 255.002611 159.2
[M+CH3COO]- 269.018261 187.3
[M+Na-2H]- 230.979076 146.4
[M]+ 210.00386142 157.0
[M]- 210.00495858 157.0
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