CID 53415768

1-(bromomethyl)-3-cyclopropylbenzene

Structural Information

Molecular Formula
C10H11Br
SMILES
C1CC1C2=CC=CC(=C2)CBr
InChI
InChI=1S/C10H11Br/c11-7-8-2-1-3-10(6-8)9-4-5-9/h1-3,6,9H,4-5,7H2
InChIKey
ZZNNBZHQOBXNPE-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-cyclopropylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

210.00441 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.011686 137.4
[M+Na]+ 232.993628 150.5
[M-H]- 208.997134 147.6
[M+NH4]+ 228.038233 155.6
[M+K]+ 248.967568 139.4
[M+H-H2O]+ 193.001670 137.1
[M+HCOO]- 255.002611 159.9
[M+CH3COO]- 269.018261 187.7
[M+Na-2H]- 230.979076 145.9
[M]+ 210.00386142 156.9
[M]- 210.00495858 156.9
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

patents stripe