CID 7805

4-bromotoluene

Structural Information

Molecular Formula
C7H7Br
SMILES
CC1=CC=C(C=C1)Br
InChI
InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey
ZBTMRBYMKUEVEU-UHFFFAOYSA-N
Compound name
1-bromo-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

30
References

16072
Patents

169.97311 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.98039 124.8
[M+Na]+ 192.96233 129.9
[M+NH4]+ 188.00693 131.4
[M+K]+ 208.93627 128.8
[M-H]- 168.96583 126.6
[M+Na-2H]- 190.94778 130.5
[M]+ 169.97256 125.0
[M]- 169.97366 125.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe