CID 155820391

3-[(4-bromo-2,3-difluorophenyl)methylidene]azetidine hydrochloride

Structural Information

Molecular Formula
C10H8BrF2N
SMILES
C1C(=CC2=C(C(=C(C=C2)Br)F)F)CN1
InChI
InChI=1S/C10H8BrF2N/c11-8-2-1-7(9(12)10(8)13)3-6-4-14-5-6/h1-3,14H,4-5H2
InChIKey
INXHCGMNEJXUHF-UHFFFAOYSA-N
Compound name
3-[(4-bromo-2,3-difluorophenyl)methylidene]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

258.98083 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.98811 141.3
[M+Na]+ 281.97005 152.7
[M-H]- 257.97355 145.7
[M+NH4]+ 277.01465 154.4
[M+K]+ 297.94399 142.5
[M+H-H2O]+ 241.97809 134.9
[M+HCOO]- 303.97903 157.3
[M+CH3COO]- 317.99468 192.9
[M+Na-2H]- 279.95550 146.3
[M]+ 258.98028 162.1
[M]- 258.98138 162.1
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